4-phenylfuro[3,2-b]indole-2-carboxylic acid

C17H11NO3 — CID 13435431

IUPAC4-phenylfuro[3,2-b]indole-2-carboxylic acid
SMILESO=C(O)c1cc2c(o1)c1ccccc1n2-c1ccccc1
InChIInChI=1S/C17H11NO3/c19-17(20)15-10-14-16(21-15)12-8-4-5-9-13(12)18(14)11-6-2-1-3-7-11/h1-10H,(H,19,20)
InChIKeyMLOQSKIDJAEDOJ-UHFFFAOYSA-N
MW277.28 g/mol
LogP4.07
Rot. Bonds2

About 4-phenylfuro[3,2-b]indole-2-carboxylic acid

4-phenylfuro[3,2-b]indole-2-carboxylic acid (PubChem CID 13435431) has the molecular formula C17H11NO3 and a molecular weight of 277.28 g/mol. Its IUPAC name is 4-phenylfuro[3,2-b]indole-2-carboxylic acid.

Molecular Properties

Compound Name4-phenylfuro[3,2-b]indole-2-carboxylic acid
PubChem CID13435431
Molecular FormulaC17H11NO3
Molecular Weight277.28 g/mol
Exact Mass277.07
IUPAC Name4-phenylfuro[3,2-b]indole-2-carboxylic acid
SMILESO=C(O)c1cc2c(o1)c1ccccc1n2-c1ccccc1
InChIInChI=1S/C17H11NO3/c19-17(20)15-10-14-16(21-15)12-8-4-5-9-13(12)18(14)11-6-2-1-3-7-11/h1-10H,(H,19,20)
InChIKeyMLOQSKIDJAEDOJ-UHFFFAOYSA-N
XLogP4.07
TPSA55.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-phenylfuro[3,2-b]indole-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-phenylfuro[3,2-b]indole-2-carboxylic acid?
The IUPAC name of 4-phenylfuro[3,2-b]indole-2-carboxylic acid (CID 13435431) is 4-phenylfuro[3,2-b]indole-2-carboxylic acid.
What is the SMILES notation for 4-phenylfuro[3,2-b]indole-2-carboxylic acid?
The canonical SMILES for 4-phenylfuro[3,2-b]indole-2-carboxylic acid is O=C(O)c1cc2c(o1)c1ccccc1n2-c1ccccc1.
What is the InChIKey of 4-phenylfuro[3,2-b]indole-2-carboxylic acid?
The InChIKey is MLOQSKIDJAEDOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11NO3/c19-17(20)15-10-14-16(21-15)12-8-4-5-9-13(12)18(14)11-6-2-1-3-7-11/h1-10H,(H,19,20).
What are the key properties of 4-phenylfuro[3,2-b]indole-2-carboxylic acid?
4-phenylfuro[3,2-b]indole-2-carboxylic acid has a molecular weight of 277.28 g/mol, XLogP of 4.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenylfuro[3,2-b]indole-2-carboxylic acid is sourced from PubChem (CID 13435431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).